CID 9855

408-16-2

Structural Information

Molecular Formula
C7H15FO
SMILES
C(CCCO)CCCF
InChI
InChI=1S/C7H15FO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2
InChIKey
BZIZKLZGQRAKFR-UHFFFAOYSA-N
Compound name
7-fluoroheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

134.11069 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11797 129.5
[M+Na]+ 157.09991 135.9
[M-H]- 133.10341 126.7
[M+NH4]+ 152.14451 150.8
[M+K]+ 173.07385 134.6
[M+H-H2O]+ 117.10795 124.2
[M+HCOO]- 179.10889 150.6
[M+CH3COO]- 193.12454 172.3
[M+Na-2H]- 155.08536 135.0
[M]+ 134.11014 129.5
[M]- 134.11124 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.